SCHEMBL5373398

SCHEMBL5373398

CC(C)n1nc(Nc2cc(S(C)(=O)=O)[nH]n2)c2cccc(N(C)C)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.54
AURKB Q96GD4 4/20 0.54
SYK P43405 16/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4059607 0.88 AURKA (0.70) AURKAAURKBSYK
SCHEMBL4056297 0.71 AURKA (1.00) AURKAAURKBSYK
SCHEMBL4057413 0.69 SYK (0.69) AURKAAURKBSYK
SCHEMBL4057028 0.68 SYK (0.92) AURKAAURKBSYK
SCHEMBL4056832 0.68 SYK (1.00) AURKAAURKBSYK
SCHEMBL4057518 0.68 SYK (1.00) AURKAAURKBSYK
SCHEMBL4057432 0.67 SYK (0.75) AURKAAURKBSYK
SCHEMBL4271436 0.66 SYK (0.74) AURKAAURKBSYK
SCHEMBL4061646 0.66 SYK (1.00) AURKAAURKBSYK
SCHEMBL4056861 0.66 SYK (1.00) AURKAAURKBSYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794148-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP claimed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO claimed